Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5791672 | 0.90 | TACR1 (0.46) | PKMTACR1IDO1KIF11 | |
| SCHEMBL5792856 | 0.86 | SLC1A3 (0.44) | TACR1IDO1AGXTKIF11 | |
| SCHEMBL5790274 | 0.86 | IDO1 (0.45) | TACR1CYP3A4IDO1KIF11MAOB | |
| SCHEMBL5793858 | 0.85 | CHRNB2 (0.47) | CYP3A4IDO1AGXTKIF11 | |
| SCHEMBL5793923 | 0.85 | IDO1 (0.44) | CYP3A4IDO1AGXTMAOBHCAR2 | |
| SCHEMBL5790375 | 0.85 | IDO1 (0.44) | IDO1AGXTMAOBHCAR2FFAR1 | |
| SCHEMBL5790686 | 0.85 | IDO1 (0.51) | TACR1IDO1MAOBFFAR1SLC1A5 | |
| SCHEMBL5791244 | 0.84 | IDO1 (0.48) | IDO1AGXTMAOBFFAR1SLC1A5 | |
| SCHEMBL5790293 | 0.81 | TACR1 (0.46) | PKMTACR1CYP3A4IDO1 | |
| SCHEMBL5792475 | 0.81 | CETP (0.43) | TACR1KIF11 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |